2-sulfooxyethyl 3-methyl-4-[(2,4,5-trimethylphenyl)diazenyl]benzenesulfinate

Systemtic Name: 2-sulfooxyethyl 3-methyl-4-[(2,4,5-trimethylphenyl)diazenyl]benzenesulfinate Openeye Name: 2-sulfooxyethyl 3-methyl-4-(2,4,5-trimethylphenyl)azo-benzenesulfinate CAS Name: 3-methyl-4-(2,4,5-trimethylphenyl)azobenzenesulfinic acid 2-sulfooxyethyl ester IUPAC Name: 2-sulfooxyethyl 3-methyl-4-[(2,4,5-trimethylphenyl)diazenyl]benzenesulfinate Traditional Name: 3-methyl-4-(2,4,5-trimethylphenyl)azo-benzenesulfinic acid 2-sulfoxyethyl ester Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)N=NC2=C(C=C(C=C2)S(=O)OCCOS(=O)(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)N=NC2=C(C=C(C=C2)S(=O)OCCOS(=O)(=O)O)C)C

InChI

InChI=1S/C18H22N2O6S2/c1-12-9-14(3)18(11-13(12)2)20-19-17-6-5-16(10-15(17)4)27(21)25-7-8-26-28(22,23)24/h5-6,9-11H,7-8H2,1-4H3,(H,22,23,24)